5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide

C15H21FN2O2 — CID 104786143

IUPAC5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-14(2)3-5-15(20,6-4-14)10-18-13(19)11-7-12(16)9-17-8-11/h7-9,20H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyVRZQZFIDYGADRW-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.28
Rot. Bonds3

About 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide

5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 104786143) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID104786143
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)c2cncc(F)c2)CC1
InChIInChI=1S/C15H21FN2O2/c1-14(2)3-5-15(20,6-4-14)10-18-13(19)11-7-12(16)9-17-8-11/h7-9,20H,3-6,10H2,1-2H3,(H,18,19)
InChIKeyVRZQZFIDYGADRW-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
2-[1-[[(5-fluoropyridine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104785541
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65119604
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide (CID 104786143) is 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide is CC1(C)CCC(O)(CNC(=O)c2cncc(F)c2)CC1.
What is the InChIKey of 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is VRZQZFIDYGADRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-14(2)3-5-15(20,6-4-14)10-18-13(19)11-7-12(16)9-17-8-11/h7-9,20H,3-6,10H2,1-2H3,(H,18,19).
What are the key properties of 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide?
5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 104786143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).